UCSF

ZINC03957997

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.12 0.83 -8.38 2 3 0 49 163.176 0
Ref Reference (pH 7) 1.31 -1.83 -7.88 2 3 0 53 163.176 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 230-234? Alfa-Aesar
Melting_Point 230-234° Alfa-Aesar
MP 233 - 237 Enamine Building Blocks
MP 233-237° Oakwood Chemical
MP 233...237 Enamine Building Blocks
melting_point 234 - 238 KeyOrganics
MP 236 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )